Merge pull request #21 from ITISFoundation/fix_version_file

Fix gcc problems, version string. Enable the queso package compilation in dakota.

.github/workflows/build-wheels.yml

@@ -2,7 +2,9 @@ name: build-wheel
 
 on:
     push:
-
+    schedule:
+      - cron: "5 0 * * 0"
+
 jobs:
     tag:
         name: Tag new version
@@ -24,7 +26,7 @@ jobs:
                   GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
                   WITH_V: false
                   DEFAULT_BUMP: patch
-      
+
     wheels:
         name: Build wheel on ${{ matrix.python }} ${{ matrix.os }} ${{ matrix.arch }}
         runs-on: ${{ matrix.os }}
@@ -81,7 +83,7 @@ jobs:
         runs-on: ubuntu-latest
         permissions:
             contents: write
-        if: github.ref == 'refs/heads/master'
+        if: github.event_name == 'push' && github.ref == 'refs/heads/master'
         needs: 
           - tag
           - wheels
@@ -102,7 +104,7 @@ jobs:
         runs-on: ubuntu-latest
         needs:
             - release
-        if: github.ref == 'refs/heads/master'
+        if: github.event_name == 'push' && github.ref == 'refs/heads/master'
         environment:
             name: testpypi
             url: https://test.pypi.org/p/itis-dakota
@@ -125,7 +127,7 @@ jobs:
         runs-on: ubuntu-latest
         needs:
             - test-pypi
-        if: github.ref == 'refs/heads/master'
+        if: github.event_name == 'push' && github.ref == 'refs/heads/master'
         environment:
             name: pypi
             url: https://pypi.org/p/itis-dakota

Makefile

@@ -29,6 +29,9 @@ get-dakota-src:
 		git apply ../src_patches/dakota-src.patch && \
 		git apply ../src_patches/boost.patch && \
 		git apply ../src_patches/dakenv_restart.patch && \
+		git apply ../src_patches/cstdint_dak_types.patch && \
 		git apply --whitespace=nowarn ../src_patches/adaptsampl_batch.patch && \
 	    find . \( -name \*.cpp -o -name \*.hpp -o -name \*.c -o -name \*.h \) -exec \
 			sed -i -E -f ../src_patches/replace_old_macros_numpy.sed {} +
+	cd dakota/packages/external && \
+		git apply ../../../src_patches/cstdint.patch

itis_dakota/__init__.py

@@ -1,7 +1,2 @@
-from importlib.metadata import PackageNotFoundError, version
-
-try:
-    __version__ = version("osparc_filecomms")
-except PackageNotFoundError:
-    # package is not installed
-    pass
+from ._version import __version__ #NOQA
+from ._version import __version_tuple__ #NOQA

pyproject.toml

@@ -41,8 +41,8 @@ repair-wheel-command = "auditwheel repair -w {dest_dir} {wheel} && ./scripts/fix
 build-verbosity = 2
 
 [tool.cibuildwheel.environment]
-BOOST_LIBRARYDIR = "/usr/lib64/boost169"
-BOOST_INCLUDEDIR = "/usr/include/boost169"
+BOOST_LIBRARYDIR = "/usr/lib64/boost1.78"
+BOOST_INCLUDEDIR = "/usr/include/boost1.78"
 
 [tool.cibuildwheel.linux]
 environment-pass = [
@@ -54,7 +54,7 @@ before-all = [
     "yum install -y epel-release yum-utils",
     "yum-config-manager --enable epel",
     "yum makecache --refresh",
-    "yum install -y lapack-devel boost169-devel blas-devel hdf5-devel zip unzip ccache wget",
+    "yum install -y lapack-devel boost1.78-devel blas-devel hdf5-devel zip unzip ccache wget gsl-devel",
     "wget --progress=dot:mega https://github.com/mozilla/sccache/releases/download/v0.8.1/sccache-v0.8.1-x86_64-unknown-linux-musl.tar.gz",
     "tar xzvf sccache-v0.8.1-x86_64-unknown-linux-musl.tar.gz",
     "cp sccache-v0.8.1-x86_64-unknown-linux-musl/sccache /usr/bin/",
@@ -73,10 +73,12 @@ install_components = ["dakota_for_python"]
 [tool.py-build-cmake.cmake.options]
 CMAKE_CXX_COMPILER_LAUNCHER = "sccache"
 DAKOTA_HAVE_HDF5 = "ON"
+HAVE_QUESO = "ON"
+DAKOTA_HAVE_GSL = "ON"
 DAKOTA_PYTHON_WRAPPER = "ON"
 DAKOTA_PYTHON_DIRECT_INTERFACE = "ON"
 BUILD_SHARED_LIBS = "OFF"
 CMAKE_POSITION_INDEPENDENT_CODE = "ON"
 
 [tool.pytest.ini_options]
-addopts = "--ignore=dakota/"   
+addopts = "--ignore=dakota/"

src_patches/cstdint.patch

@@ -0,0 +1,24 @@
+diff --git a/trilinos/packages/teuchos/core/src/Teuchos_BigUInt.hpp b/trilinos/packages/teuchos/core/src/Teuchos_BigUInt.hpp
+index 5b6d3c5e..7fbfec7b 100644
+--- a/trilinos/packages/teuchos/core/src/Teuchos_BigUInt.hpp
++++ b/trilinos/packages/teuchos/core/src/Teuchos_BigUInt.hpp
+@@ -43,6 +43,7 @@
+ #define TEUCHOS_BIG_UINT_HPP
+
+ #include <iostream>
++#include <cstdint>
+ #include <Teuchos_BigUIntDecl.hpp>
+
+ /*! \file Teuchos_BigUInt.hpp
+diff --git a/trilinos/packages/teuchos/core/src/Teuchos_BigUIntDecl.hpp b/trilinos/packages/teuchos/core/src/Teuchos_BigUIntDecl.hpp
+index e82e8be9..a51f66cf 100644
+--- a/trilinos/packages/teuchos/core/src/Teuchos_BigUIntDecl.hpp
++++ b/trilinos/packages/teuchos/core/src/Teuchos_BigUIntDecl.hpp
+@@ -42,6 +42,7 @@
+ #ifndef TEUCHOS_BIG_UINT_DECL_HPP
+ #define TEUCHOS_BIG_UINT_DECL_HPP
+
++#include <cstdint>
+ #include <iosfwd>
+
+ /*! \file Teuchos_BigUIntDecl.hpp

src_patches/cstdint_dak_types.patch

@@ -0,0 +1,12 @@
+diff --git a/src/dakota_data_types.hpp b/src/dakota_data_types.hpp
+index 8771587..a430d51 100644
+--- a/src/dakota_data_types.hpp
++++ b/src/dakota_data_types.hpp
+@@ -21,6 +21,7 @@
+ #include <list>
+ #include <map>
+ #include <set>
++#include <cstdint>
+
+ namespace Dakota {
+

src_patches/find_python.patch

@@ -0,0 +1,22 @@
+diff --git a/cmake/DakotaFindPython.cmake b/cmake/DakotaFindPython.cmake
+index 9ffa1ca..8edd853 100644
+--- a/cmake/DakotaFindPython.cmake
++++ b/cmake/DakotaFindPython.cmake
+@@ -8,7 +8,7 @@ macro(dakota_find_python)
+     if(DAKOTA_PYTHON_DIRECT_INTERFACE OR DAKOTA_PYTHON_SURROGATES OR
+ 	DAKOTA_PYTHON_WRAPPER OR DAKOTA_PYBIND11)
+       message(STATUS "Dakota enabling Python (Development) for direct or surrogate interface")
+-      list(APPEND dakota_python_components Development)
++      list(APPEND dakota_python_components Development.module)
+
+       if (DAKOTA_PYTHON_DIRECT_INTERFACE_LEGACY)
+         if (DAKOTA_PYTHON_DIRECT_INTERFACE)
+@@ -31,7 +31,7 @@ macro(dakota_find_python)
+
+     endif()
+
+-    find_package(Python REQUIRED ${dakota_python_components})
++    # find_package(Python REQUIRED ${dakota_python_components})
+
+     if (DAKOTA_PYTHON_DIRECT_INTERFACE_NUMPY)
+ 	message(STATUS "NumPy version ${Python_NumPy_VERSION} found at ${Python_NumPy_INCLUDE_DIRS}")